2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline

C24H20N4O2 — CID 10135365

IUPAC2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc2cccc(-c3cccnc3)c2n1
InChIInChI=1S/C24H20N4O2/c1-29-12-13-30-19-8-9-22-21(14-19)26-16-28(22)23-10-7-17-4-2-6-20(24(17)27-23)18-5-3-11-25-15-18/h2-11,14-16H,12-13H2,1H3
InChIKeyOPIXUUPBVRVBHC-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.66
Rot. Bonds6

About 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline

2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline (PubChem CID 10135365) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline.

Molecular Properties

Compound Name2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline
PubChem CID10135365
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline
SMILESCOCCOc1ccc2c(c1)ncn2-c1ccc2cccc(-c3cccnc3)c2n1
InChIInChI=1S/C24H20N4O2/c1-29-12-13-30-19-8-9-22-21(14-19)26-16-28(22)23-10-7-17-4-2-6-20(24(17)27-23)18-5-3-11-25-15-18/h2-11,14-16H,12-13H2,1H3
InChIKeyOPIXUUPBVRVBHC-UHFFFAOYSA-N
XLogP4.66
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[5-[3-(dimethylamino)propoxy]benzimidazol-1-yl]quinolin-8-yl]phenol
CID 22226916
2-amino-1-[4-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperazin-1-yl]ethanone
CID 10276341
2-(5-methoxybenzimidazol-1-yl)-N,N-dimethylquinolin-8-amine
CID 170712450
2-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]acetamide
CID 10162497
8-piperidin-1-yl-2-[5-(pyridin-3-ylmethoxy)benzimidazol-1-yl]quinoline
CID 141038235
methyl 2-(5-methoxybenzimidazol-1-yl)quinoline-8-carboxylate
CID 21020314
3-amino-N-[1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-yl]-3-methylbutanamide
CID 10118652
2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid;2-[6-(2-methoxyethoxy)benzimidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 161416716
4-[5-(2-methoxyethoxy)benzimidazol-1-yl]aniline
CID 130424385
3-[2-(2-methoxyethoxy)phenyl]pyridine
CID 141192201
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
1-[2-(5-pyridin-3-ylbenzimidazol-1-yl)quinolin-8-yl]piperidin-3-amine
CID 141038248

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline?
The IUPAC name of 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline (CID 10135365) is 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline.
What is the SMILES notation for 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline?
The canonical SMILES for 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline is COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(-c3cccnc3)c2n1.
What is the InChIKey of 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline?
The InChIKey is OPIXUUPBVRVBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-29-12-13-30-19-8-9-22-21(14-19)26-16-28(22)23-10-7-17-4-2-6-20(24(17)27-23)18-5-3-11-25-15-18/h2-11,14-16H,12-13H2,1H3.
What are the key properties of 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline?
2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline has a molecular weight of 396.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethoxy)benzimidazol-1-yl]-8-pyridin-3-ylquinoline is sourced from PubChem (CID 10135365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).